SCHEMBL5284112

SCHEMBL5284112

CCCn1nnc(CC)c1[N+](=O)[O-]

nearest known ligand 0.34

Predicted protein targets (top 7)

geneUniProtsupporting neighboursconfidence
SLC9A1 P19634 1/20 0.34
ALDH1A1 P00352 1/20 0.34
TOP2A P11388 1/20 0.33
GRIA4 P48058 1/20 0.31
HCAR3 P49019 1/20 0.31
SMN1; SMN2 Q16637 1/20 0.31
GRM2 Q14416 1/20 0.31

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5278791 0.90 SLC9A1 (0.37) SLC9A1ALDH1A1TOP2AHCAR3SMN1; SMN2
SCHEMBL5275930 0.88 SMN1; SMN2 (0.39) SLC9A1ALDH1A1TOP2AGRIA4HCAR3
SCHEMBL5274445 0.87 SLC9A1 (0.40) SLC9A1ALDH1A1TOP2AHCAR3
SCHEMBL5276637 0.86 NPC1 (0.33) SLC9A1ALDH1A1
SCHEMBL5278499 0.85 SMN1; SMN2 (0.32) SLC9A1ALDH1A1TOP2ASMN1; SMN2
SCHEMBL5281297 0.84 ALDH1A1 (0.31) SLC9A1ALDH1A1TOP2A
SCHEMBL5282075 0.84 GRIA4 (0.34) SLC9A1ALDH1A1TOP2AGRIA4
SCHEMBL5283087 0.81 GRM2 (0.38) SLC9A1ALDH1A1TOP2AGRIA4HCAR3
SCHEMBL5285281 0.81 ALDH1A1 (0.36) SLC9A1ALDH1A1TOP2AGRIA4HCAR3
SCHEMBL5279828 0.81 SLC9A1 (0.35) SLC9A1ALDH1A1TOP2AGRIA4HCAR3

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1859781-A2 Brightening and/or colouring agent with triazoles Henkel Kommanditgesellschaft auf Aktien (DE) 2007-11-28 EP disclosed